| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: (2S,3S)-N3-(2-dimethylaminoethyl)-N2,N3-dipropyl-butane-2,3-diamine (2S,3S)-N3-(2-dimethylaminoethyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.58 | 6.03 | -105.17 | 3 | 3 | 2 | 24 | 245.455 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 4.33 | -34.6 | 2 | 3 | 1 | 23 | 244.447 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 5.77 | -33.32 | 2 | 3 | 1 | 20 | 244.447 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 6.8 | -90.45 | 3 | 3 | 2 | 24 | 245.455 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 8.49 | -200.66 | 4 | 3 | 3 | 25 | 246.463 | 10 | ↓ |
